SCHEMBL12828640

SCHEMBL12828640

O=Nc1cccn2cc(-c3cccc(-c4ccccc4)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.52
ALDH1A3 P47895 6/20 0.51
ALDH1A2 O94788 3/20 0.51
ALDH1A1 P00352 6/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 3/20 0.50
TP53 P04637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1420335 0.79 ALDH1A3 (0.55) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL5074229 0.76 DHODH (0.67) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL1420384 0.76 NPC1 (0.65) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL5251228 0.74 DHODH (0.53) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL11255204 0.73 ALDH1A1 (0.59) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL12753210 0.71 DHODH (0.50) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL12753201 0.70 TMIGD3 (0.54) DHODHALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL10211959 0.69 DHODH (1.00) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL973108 0.68 ALDH1A3 (0.70) DHODHALDH1A3ALDH1A2ALDH1A1NPC1
SCHEMBL13325903 0.68 ALDH1A1 (0.94) DHODHALDH1A3ALDH1A2ALDH1A1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. 2011-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110077248-A1 IMIDAZOPYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 DHODH 1141/4885ALDH1A3 2233/4885ALDH1A2 1871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.